6-fluoro-3-[(E)-pent-2-en-3-yl]-1,2-benzoxazole

C12H12FNO — CID 171510306

IUPAC6-fluoro-3-[(E)-pent-2-en-3-yl]-1,2-benzoxazole
SMILESC/C=C(\CC)c1noc2cc(F)ccc12
InChIInChI=1S/C12H12FNO/c1-3-8(4-2)12-10-6-5-9(13)7-11(10)15-14-12/h3,5-7H,4H2,1-2H3/b8-3+
InChIKeyYONXYXWSIPYATI-FPYGCLRLSA-N
MW205.23 g/mol
LogP3.78
Rot. Bonds2

About 6-fluoro-3-[(E)-pent-2-en-3-yl]-1,2-benzoxazole

6-fluoro-3-[(E)-pent-2-en-3-yl]-1,2-benzoxazole (PubChem CID 171510306) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 6-fluoro-3-[(E)-pent-2-en-3-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[(E)-pent-2-en-3-yl]-1,2-benzoxazole
PubChem CID171510306
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name6-fluoro-3-[(E)-pent-2-en-3-yl]-1,2-benzoxazole
SMILESC/C=C(\CC)c1noc2cc(F)ccc12
InChIInChI=1S/C12H12FNO/c1-3-8(4-2)12-10-6-5-9(13)7-11(10)15-14-12/h3,5-7H,4H2,1-2H3/b8-3+
InChIKeyYONXYXWSIPYATI-FPYGCLRLSA-N
XLogP3.78
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-N'-hydroxy-1,2-benzoxazole-3-carboximidamide
CID 136969997
6-(18F)fluoro-3-methyl-1,2-benzoxazole
CID 129087270
6-fluoro-1,2-benzoxazole-3-carbaldehyde
CID 89169705
(6-fluoro-1,2-benzoxazol-3-yl)methanamine;hydrochloride
CID 126797029
6-fluoro-3,5-dimethyl-1,2-benzoxazole;6-fluoro-3-methyl-1,2-benzoxazole
CID 158387133
6-fluoro-3-[(sulfamoylamino)methyl]-1,2-benzoxazole
CID 130221894
N'-(6-fluoro-1,2-benzoxazol-3-yl)ethane-1,2-diamine
CID 84665921
acetaldehyde;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole
CID 158743343
5-fluoro-3-methylsulfanyl-1,2-benzoxazole
CID 123369896
methyl 2-(6-fluoro-1,2-benzoxazol-3-yl)propanoate
CID 22402925
6-fluoro-3-(3-methylphenyl)-1,2-benzoxazole
CID 142050356
N-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-1-amine
CID 13319887

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(E)-pent-2-en-3-yl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[(E)-pent-2-en-3-yl]-1,2-benzoxazole (CID 171510306) is 6-fluoro-3-[(E)-pent-2-en-3-yl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[(E)-pent-2-en-3-yl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[(E)-pent-2-en-3-yl]-1,2-benzoxazole is C/C=C(\CC)c1noc2cc(F)ccc12.
What is the InChIKey of 6-fluoro-3-[(E)-pent-2-en-3-yl]-1,2-benzoxazole?
The InChIKey is YONXYXWSIPYATI-FPYGCLRLSA-N. The full InChI is InChI=1S/C12H12FNO/c1-3-8(4-2)12-10-6-5-9(13)7-11(10)15-14-12/h3,5-7H,4H2,1-2H3/b8-3+.
What are the key properties of 6-fluoro-3-[(E)-pent-2-en-3-yl]-1,2-benzoxazole?
6-fluoro-3-[(E)-pent-2-en-3-yl]-1,2-benzoxazole has a molecular weight of 205.23 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(E)-pent-2-en-3-yl]-1,2-benzoxazole is sourced from PubChem (CID 171510306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).